COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.831  -0.027   0.674  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.008  -1.169  -0.361  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.376  -1.060  -0.964  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.026   0.109  -0.870  1.00  0.00           N  
HETATM    5  S   UNL     1      -6.065   1.163   0.007  1.00  0.00           S  
HETATM    6  O   UNL     1      -6.940   1.648   1.017  1.00  0.00           O  
HETATM    7  O   UNL     1      -5.509   2.005  -0.993  1.00  0.00           O  
HETATM    8  O   UNL     1      -6.882  -2.007  -1.529  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.436   0.543   0.634  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.638   0.497   1.762  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.359   1.019   1.725  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.877   1.587   0.560  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.675   1.632  -0.568  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.953   1.106  -0.532  1.00  0.00           C  
HETATM   15  C   UNL     1       0.517   2.157   0.520  1.00  0.00           C  
HETATM   16  C   UNL     1       1.502   1.067   0.092  1.00  0.00           C  
HETATM   17  N   UNL     1       1.541   0.017   1.113  1.00  0.00           N  
HETATM   18  C   UNL     1       7.194   3.026  -0.145  1.00  0.00           C  
HETATM   19  C   UNL     1       6.399   2.067   0.446  1.00  0.00           C  
HETATM   20  C   UNL     1       5.042   2.025   0.156  1.00  0.00           C  
HETATM   21  C   UNL     1       4.489   2.959  -0.736  1.00  0.00           C  
HETATM   22  C   UNL     1       5.314   3.923  -1.322  1.00  0.00           C  
HETATM   23  C   UNL     1       6.647   3.948  -1.025  1.00  0.00           C  
HETATM   24  N   UNL     1       3.997   1.220   0.562  1.00  0.00           N  
HETATM   25  C   UNL     1       2.876   1.665  -0.067  1.00  0.00           C  
HETATM   26  N   UNL     1       3.164   2.678  -0.830  1.00  0.00           N  
HETATM   27  C   UNL     1       3.276  -5.765  -0.676  1.00  0.00           C  
HETATM   28  C   UNL     1       2.894  -5.182   0.519  1.00  0.00           C  
HETATM   29  C   UNL     1       2.572  -3.849   0.551  1.00  0.00           C  
HETATM   30  C   UNL     1       2.612  -3.027  -0.598  1.00  0.00           C  
HETATM   31  C   UNL     1       3.007  -3.655  -1.802  1.00  0.00           C  
HETATM   32  C   UNL     1       3.327  -4.988  -1.824  1.00  0.00           C  
HETATM   33  S   UNL     1       2.045  -2.713   1.811  1.00  0.00           S  
HETATM   34  C   UNL     1       1.915  -1.266   0.770  1.00  0.00           C  
HETATM   35  N   UNL     1       2.262  -1.736  -0.407  1.00  0.00           N  
HETATM   36  H   UNL     1      -5.095  -0.355   1.679  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.902  -2.133   0.135  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.255  -1.075  -1.143  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.901   0.308  -1.240  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.014   0.053   2.672  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.735   0.984   2.606  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.299   2.075  -1.478  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.576   1.141  -1.414  1.00  0.00           H  
HETATM   44  H   UNL     1       0.553   2.979  -0.195  1.00  0.00           H  
HETATM   45  H   UNL     1       0.789   2.524   1.510  1.00  0.00           H  
HETATM   46  H   UNL     1       1.180   0.638  -0.857  1.00  0.00           H  
HETATM   47  H   UNL     1       1.305   0.224   2.031  1.00  0.00           H  
HETATM   48  H   UNL     1       8.250   3.060   0.079  1.00  0.00           H  
HETATM   49  H   UNL     1       6.830   1.351   1.130  1.00  0.00           H  
HETATM   50  H   UNL     1       4.898   4.646  -2.007  1.00  0.00           H  
HETATM   51  H   UNL     1       7.282   4.694  -1.480  1.00  0.00           H  
HETATM   52  H   UNL     1       4.052   0.475   1.181  1.00  0.00           H  
HETATM   53  H   UNL     1       3.532  -6.813  -0.715  1.00  0.00           H  
HETATM   54  H   UNL     1       2.849  -5.774   1.422  1.00  0.00           H  
HETATM   55  H   UNL     1       3.057  -3.078  -2.713  1.00  0.00           H  
HETATM   56  H   UNL     1       3.625  -5.443  -2.757  1.00  0.00           H  
CONECT    1    2    5    9   36                                       
CONECT    2    1    3   37   38                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   39                                            
CONECT    5    1    4    6    6                                       
CONECT    5    7    7                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    3    3                                                 
CONECT    9    1   10   10   14                                       
CONECT   10    9    9   11   40                                       
CONECT   11   10   12   12   41                                       
CONECT   12   11   11   13   15                                       
CONECT   13   12   14   14   42                                       
CONECT   14    9   13   13   43                                       
CONECT   15   12   16   44   45                                       
CONECT   16   15   17   25   46                                       
CONECT   17   16   34   47                                            
CONECT   18   19   19   23   48                                       
CONECT   19   18   18   20   49                                       
CONECT   20   19   21   21   24                                       
CONECT   21   20   20   22   26                                       
CONECT   22   21   23   23   50                                       
CONECT   23   18   22   22   51                                       
CONECT   24   20   25   52                                            
CONECT   25   16   24   26   26                                       
CONECT   26   21   25   25                                            
CONECT   27   28   28   32   53                                       
CONECT   28   27   27   29   54                                       
CONECT   29   28   30   30   33                                       
CONECT   30   29   29   31   35                                       
CONECT   31   30   32   32   55                                       
CONECT   32   27   31   31   56                                       
CONECT   33   29   34                                                 
CONECT   34   17   33   35   35                                       
CONECT   35   30   34   34                                            
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
